Marvin  10010811322D          

 22 22  0  0  0  0            999 V2000
    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0717   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.4438    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007   -0.2062    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4549   -0.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0424    0.9908    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1223    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8674    0.9908    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7875    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0730   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6440   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 10  5  1  0  0  0  0
  7  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
 22  4  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
 15 11  1  0  0  0  0
 15 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
> <ID>
CHEBI:14919

> <NAME>
N(6)-lipoyl-L-lysine residue

> <STAR>
3

> <FORMULA>
C14H24N2O2S2

> <MASS>
316.48464

> <MONOISOTOPIC_MASS>
316.12792

> <CHARGE>
0

> <SMILES>
C([C@@H](C(*)=O)N*)CCCNC(CCCCC1CCSS1)=O

$$$$